N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C20H28N4O3 — CID 16885496

IUPACN-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCCN(C)C)n2)cc1
InChIInChI=1S/C20H28N4O3/c1-4-27-17-9-7-16(8-10-17)18-11-12-20(26)24(22-18)14-5-6-19(25)21-13-15-23(2)3/h7-12H,4-6,13-15H2,1-3H3,(H,21,25)
InChIKeyUOXATAWTYUKDOQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.77
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885496) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885496
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCCN(C)C)n2)cc1
InChIInChI=1S/C20H28N4O3/c1-4-27-17-9-7-16(8-10-17)18-11-12-20(26)24(22-18)14-5-6-19(25)21-13-15-23(2)3/h7-12H,4-6,13-15H2,1-3H3,(H,21,25)
InChIKeyUOXATAWTYUKDOQ-UHFFFAOYSA-N
XLogP1.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885591
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885622
N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332434
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 51366084
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885496) is N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCCN(C)C)n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is UOXATAWTYUKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-27-17-9-7-16(8-10-17)18-11-12-20(26)24(22-18)14-5-6-19(25)21-13-15-23(2)3/h7-12H,4-6,13-15H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 372.47 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).